SCHEMBL2460010

SCHEMBL2460010

O=c1[nH]c(=S)n(Cc2c[nH]c3ccc(F)cc23)c2nc[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 11/20 0.65
▸ TPO P07202 4/20 0.65
▸ CYP3A4 P08684 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PRNP P04156 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GPR84 Q9NQS5 2/20 0.43
▸ PNP P00491 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ HTR1A P08908 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2282123 0.88 MPO (0.63) MPOTPOCYP3A4KCNH2KMT2A
SCHEMBL1536688 0.81 MPO (0.53) MPOTPOCYP3A4KCNH2
SCHEMBL2284357 0.80 MPO (0.67) MPOTPOCYP3A4KCNH2KMT2A
SCHEMBL1460860 0.80 MPO (1.00) MPOTPOCYP3A4KCNH2KMT2A
SCHEMBL2286263 0.79 MPO (0.59) MPOTPOCYP3A4KCNH2KMT2A
SCHEMBL2285006 0.72 MPO (0.61) MPOTPOCYP3A4KCNH2KMT2A
SCHEMBL2286250 0.70 MPO (0.77) MPOTPOCYP3A4KCNH2KMT2A
SCHEMBL4338497 0.69 MPO (0.56) MPOTPOCYP3A4KCNH2KMT2A
SCHEMBL2287220 0.69 MPO (0.62) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2288047 0.69 MPO (0.62) MPOTPOCYP3A4KCNH2PNP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 — — EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 — — US disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MPO 1/4885TPO 12/4885CYP3A4 1227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback